Structure of PDB 1tez Chain D Binding Site BS04

Receptor Information
>1tez Chain D (length=474) Species: 269084 (Synechococcus elongatus PCC 6301) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAPILFWHRRDLRLSDNIGLAAARAQSAQLIGLFCLDPQILQSADMAPAR
VAYLQGCLQELQQRYQQAGSRLLLLQGDPQHLIPQLAQQLQAEAVYWNQD
IEPYGRDRDGQVAAALKTAGIRAVQLWDQLLHSPDQILSGSGNPYSVYGP
FWKNWQAQPKPTPVATPTELVDLSPEQLTAIAPLLLSELPTLKQLGFDWD
GGFPVEPGETAAIARLQEFCDRAIADYDPQRNFPAEAGTSGLSPALKFGA
IGIRQAWQAASAAHALSRSDEARNSIRVWQQELAWREFYQHALYHFPSLA
DGPYRSLWQQFPWENREALFTAWTQAQTGYPIVDAAMRQLTETGWMHNRC
RMIVASFLTKDLIIDWRRGEQFFMQHLVDGDLAANNGGWQWSASSGMDPK
PLRIFNPASQAKKFDATATYIKRWLPELRHVHPKDLISGEITPIERRGYP
APIVNHNLRQKQFKALYNQLKAAI
Ligand information
Ligand IDHDF
InChIInChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13+/m1/s1
InChIKeyAUEILLWDYUBWCM-AGIUHOORSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O
ACDLabs 10.04O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
FormulaC16 H17 N3 O7
Name8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE
ChEMBL
DrugBank
ZINCZINC000103544532
PDB chain1tez Chain D Residue 8486 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1tez Crystal structure of a photolyase bound to a CPD-like DNA lesion after in situ repair
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R10 F35 C36 L37 D38 I41 L42 M47 R51 L55 D101 E103 G106 R109 K248 F249
Binding residue
(residue number reindexed from 1)		R9 F34 C35 L36 D37 I40 L41 M46 R50 L54 D100 E102 G105 R108 K247 F248
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.3: deoxyribodipyrimidine photo-lyase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003904 deoxyribodipyrimidine photo-lyase activity
GO:0016829 lyase activity
GO:0071949 FAD binding
GO:0097159 organic cyclic compound binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006281 DNA repair
GO:0006950 response to stress
GO:0009416 response to light stimulus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tez, PDBe:1tez, PDBj:1tez
PDBsum1tez
PubMed15576622
UniProtP05327|PHR_SYNP6 Deoxyribodipyrimidine photo-lyase (Gene Name=phr)

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